#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyd n SER 1 N 0.00 1.96 -0.29 3.17 3.41 -1.26 -4.86 113.62 115.75 1xyd n SER 1 Ca 0.00 -2.14 0.32 0.00 -0.26 0.00 0.00 58.87 56.79 1xyd n SER 1 Cb 0.00 -0.06 0.71 0.00 -0.26 0.00 0.00 64.21 64.59 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xyd h GLU 2 N 0.00 0.06 0.00 4.33 5.08 -2.06 1.25 114.58 123.24 1xyd h GLU 2 Ca -0.21 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1xyd h GLU 2 Cb 0.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1xyd h GLU 2 CO 0.32 0.04 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.06 1xyd h LEU 3 N 0.06 0.00 0.00 1.33 3.38 -2.00 -2.82 115.31 115.26 1xyd h LEU 3 Ca 0.54 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.32 1xyd h LEU 3 Cb 2.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1xyd h LEU 3 CO -0.05 0.24 -0.95 -0.08 0.09 0.00 0.00 178.44 177.69 1xyd h GLU 4 N 0.00 0.00 -0.19 1.13 4.22 0.12 -2.90 114.58 116.97 1xyd h GLU 4 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.35 1xyd h GLU 4 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xyd h GLU 4 CO 0.03 0.76 -0.24 0.87 -2.18 0.00 0.00 179.01 178.25 1xyd h LYS 5 N 0.00 0.49 -0.26 1.92 1.57 -1.20 -2.43 116.57 116.67 1xyd h LYS 5 Ca -0.05 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1xyd h LYS 5 Cb 1.67 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1xyd h LYS 5 CO 0.10 0.86 0.10 0.00 -0.57 0.00 0.00 179.45 179.94 1xyd h ALA 6 N 0.62 0.33 -0.80 3.86 0.00 -1.57 -0.36 119.26 121.34 1xyd h ALA 6 Ca 0.02 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1xyd h ALA 6 Cb 0.80 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1xyd h ALA 6 CO 0.06 -0.07 0.42 0.52 0.00 0.00 0.00 179.25 180.18 1xyd h MET 7 N 0.26 0.64 0.12 0.00 2.86 -1.50 0.10 114.93 117.41 1xyd h MET 7 Ca 0.09 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1xyd h MET 7 Cb 0.19 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1xyd h MET 7 CO -0.01 0.42 -0.06 0.28 1.06 0.00 0.00 176.91 178.61 1xyd h VAL 8 N 0.66 1.04 -0.43 -2.22 2.07 -0.98 -1.42 116.25 114.98 1xyd h VAL 8 Ca 0.41 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 67.26 1xyd h VAL 8 Cb 0.47 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1xyd h VAL 8 CO -0.30 0.18 0.30 0.00 0.02 0.00 0.00 177.57 177.77 1xyd h ALA 9 N 0.28 2.21 0.09 1.67 0.00 -0.53 -2.60 119.26 120.37 1xyd h ALA 9 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1xyd h ALA 9 Cb 0.42 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xyd h ALA 9 CO 0.03 -0.32 -0.59 -0.07 0.00 0.00 0.00 179.25 178.30 1xyd h LEU 10 N 0.15 0.37 -1.62 0.00 3.38 -0.81 -3.20 115.31 113.58 1xyd h LEU 10 Ca 0.20 -0.93 0.34 0.00 0.09 0.00 0.00 57.88 57.58 1xyd h LEU 10 Cb 0.60 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1xyd h LEU 10 CO -0.03 1.26 0.80 0.40 0.09 0.00 0.00 178.44 180.97 1xyd h ILE 11 N -0.47 0.38 0.06 1.22 2.04 -0.86 2.73 117.51 122.61 1xyd h ILE 11 Ca -0.10 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xyd h ILE 11 Cb 1.43 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1xyd h ILE 11 CO 0.11 0.03 -0.03 0.44 0.00 0.00 0.00 178.15 178.71 1xyd h ASP 12 N 0.18 -0.06 1.19 1.72 3.32 -1.59 -2.41 116.42 118.76 1xyd h ASP 12 Ca 0.64 -0.57 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1xyd h ASP 12 Cb 2.07 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.62 1xyd h ASP 12 CO -0.21 0.60 -0.45 0.58 -1.72 0.00 0.00 179.24 178.05 1xyd h VAL 13 N -0.79 0.87 -0.19 -1.35 2.07 -1.08 -2.59 116.25 113.19 1xyd h VAL 13 Ca -0.01 -1.91 -0.08 0.00 0.82 0.00 0.00 66.70 65.53 1xyd h VAL 13 Cb 0.63 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1xyd h VAL 13 CO 0.01 0.44 -0.17 0.15 0.02 0.00 0.00 177.57 178.02 1xyd h PHE 14 N 0.00 0.54 0.07 1.57 3.57 0.47 -2.62 116.94 120.54 1xyd h PHE 14 Ca -0.00 -0.16 -0.25 0.00 3.53 0.00 0.00 57.97 61.08 1xyd h PHE 14 Cb 1.16 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.80 1xyd h PHE 14 CO 0.00 0.81 -1.10 1.25 -2.23 0.00 0.00 178.31 177.04 1xyd h HIS 15 N 0.12 0.61 -0.40 0.41 2.76 -1.47 -1.81 115.15 115.37 1xyd h HIS 15 Ca 0.03 -0.38 -0.10 0.00 -2.20 0.00 0.00 60.37 57.73 1xyd h HIS 15 Cb 0.71 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 1xyd h HIS 15 CO 0.08 1.24 -0.13 1.96 -1.30 0.00 0.00 177.93 179.78 1xyd h GLN 16 N 0.17 0.79 0.00 5.26 4.20 -1.53 0.04 115.11 124.04 1xyd h GLN 16 Ca -0.12 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.27 1xyd h GLN 16 Cb 1.78 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.52 1xyd h GLN 16 CO 0.19 0.94 -0.24 1.88 -0.67 0.00 0.00 178.83 180.92 1xyd h TYR 17 N 0.60 0.00 -0.03 2.96 -1.99 -1.57 -2.17 116.97 114.77 1xyd h TYR 17 Ca 0.10 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.83 1xyd h TYR 17 Cb 0.67 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.39 1xyd h TYR 17 CO 0.05 0.07 0.40 0.77 -0.00 0.00 0.00 178.16 179.44 1xyd h SER 18 N -1.00 0.00 -0.37 3.88 0.02 -1.47 1.13 113.55 115.74 1xyd h SER 18 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xyd h SER 18 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1xyd h SER 18 CO -0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 1xyd n GLY 19 N -1.26 1.65 0.08 -3.77 0.00 0.00 -2.25 105.19 99.64 1xyd n GLY 19 Ca -0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1xyd n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xyd h ARG 20 N 4.44 0.07 -4.77 1.61 2.43 0.20 -3.45 114.38 114.91 1xyd h ARG 20 Ca 0.00 -0.06 -0.27 0.00 -0.81 0.00 0.00 59.98 58.83 1xyd h ARG 20 Cb 0.98 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.40 1xyd h ARG 20 CO 0.00 0.78 -0.67 -2.00 -1.51 0.00 0.00 179.97 176.57 1xyd s GLU 21 N -3.31 1.03 0.56 0.20 2.12 -1.26 -5.02 118.70 113.02 1xyd s GLU 21 Ca -0.17 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.69 1xyd s GLU 21 Cb 0.00 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.13 1xyd s GLU 21 CO 0.70 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1xyd n GLY 22 N -0.18 -2.22 1.28 -1.50 0.00 -1.26 -3.85 105.19 97.45 1xyd n GLY 22 Ca -0.08 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1xyd n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xyd n ASP 23 N 0.33 3.02 -0.71 1.61 9.92 -1.26 -4.93 116.55 124.53 1xyd n ASP 23 Ca 0.00 -1.74 0.05 0.00 -0.53 0.00 0.00 54.79 52.57 1xyd n ASP 23 Cb 0.00 -0.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.88 1xyd n ASP 23 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1xyd n LYS 24 N 1.07 -0.89 -0.63 -1.24 2.85 -1.25 -4.62 118.16 113.46 1xyd n LYS 24 Ca 0.00 0.65 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 1xyd n LYS 24 Cb 0.37 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1xyd n HIS 25 N -2.47 0.00 -4.74 5.58 8.25 -0.95 -4.91 115.22 115.97 1xyd n HIS 25 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 1xyd n HIS 25 Cb 0.55 -1.16 -0.15 0.00 1.12 0.00 0.00 29.99 30.35 1xyd n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xyd s LYS 26 N -0.79 1.42 -0.24 -0.41 -0.14 -1.18 -4.59 119.74 113.81 1xyd s LYS 26 Ca 0.00 -0.81 -0.21 0.00 -1.36 0.00 0.00 55.97 53.59 1xyd s LYS 26 Cb 0.00 -1.45 -0.02 0.00 -1.68 0.00 0.00 37.83 34.68 1xyd s LYS 26 CO 0.00 0.38 0.64 -1.17 -0.76 0.00 0.00 175.35 174.44 1xyd s LEU 27 N -0.86 4.08 0.04 3.17 1.98 -1.21 -4.48 118.68 121.41 1xyd s LEU 27 Ca 0.07 0.75 0.01 0.00 -2.89 0.00 0.00 54.13 52.07 1xyd s LEU 27 Cb -0.08 -2.88 -0.04 0.00 0.66 0.00 0.00 46.19 43.85 1xyd s LEU 27 CO 0.01 -0.35 0.10 -0.54 -1.89 0.00 0.00 176.35 173.67 1xyd s LYS 28 N 2.38 3.03 0.25 1.98 -0.14 -1.26 -3.20 119.74 122.78 1xyd s LYS 28 Ca 0.27 -0.57 -0.06 0.00 -1.36 0.00 0.00 55.97 54.25 1xyd s LYS 28 Cb -0.16 -2.83 0.47 0.00 -1.68 0.00 0.00 37.83 33.63 1xyd s LYS 28 CO 0.09 0.61 1.63 0.87 -0.76 0.00 0.00 175.35 177.79 1xyd h LYS 29 N 3.61 0.11 0.00 1.68 1.57 -1.97 1.28 116.57 122.85 1xyd h LYS 29 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xyd h LYS 29 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1xyd h LYS 29 CO 0.66 0.07 0.25 0.43 -0.57 0.00 0.00 179.45 180.29 1xyd n SER 30 N -5.34 0.17 -0.11 0.86 7.64 -1.26 0.23 113.62 115.81 1xyd n SER 30 Ca 0.14 0.43 -0.14 0.00 1.01 0.00 0.00 58.87 60.31 1xyd n SER 30 Cb 0.50 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 1xyd n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xyd n GLU 31 N -1.67 0.68 0.36 1.43 1.02 0.43 -3.27 120.64 119.63 1xyd n GLU 31 Ca -0.00 0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 57.09 1xyd n GLU 31 Cb 0.26 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 1xyd n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1xyd h LEU 32 N 0.00 -0.80 -1.11 -4.62 6.46 0.81 2.26 115.31 118.31 1xyd h LEU 32 Ca -0.49 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.33 1xyd h LEU 32 Cb 1.83 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 41.92 1xyd h LEU 32 CO -0.06 -0.50 0.60 0.50 -0.62 0.00 0.00 178.44 178.37 1xyd h LYS 33 N -1.10 1.12 0.00 1.25 3.64 -1.06 0.91 116.57 121.33 1xyd h LYS 33 Ca -0.10 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.04 1xyd h LYS 33 Cb 0.72 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1xyd h LYS 33 CO 0.16 0.74 -0.84 1.49 -2.27 0.00 0.00 179.45 178.73 1xyd h GLU 34 N 1.15 0.04 -0.02 1.90 4.81 -1.50 -2.40 114.58 118.56 1xyd h GLU 34 Ca 0.37 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.36 1xyd h GLU 34 Cb 0.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xyd h GLU 34 CO -0.11 0.85 -0.79 1.25 -0.73 0.00 0.00 179.01 179.48 1xyd h LEU 35 N 0.02 0.29 -0.25 1.64 5.85 0.45 0.33 115.31 123.64 1xyd h LEU 35 Ca -0.02 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1xyd h LEU 35 Cb 1.47 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1xyd h LEU 35 CO 0.11 0.97 -0.23 0.40 -0.34 0.00 0.00 178.44 179.36 1xyd h ILE 36 N 0.15 1.31 0.00 4.05 1.08 -0.79 -1.62 117.51 121.68 1xyd h ILE 36 Ca -0.03 -1.38 -0.13 0.00 -0.39 0.00 0.00 64.86 62.93 1xyd h ILE 36 Cb 1.38 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 1xyd h ILE 36 CO 0.12 0.43 -0.92 -1.13 -0.69 0.00 0.00 178.15 175.97 1xyd h ASN 37 N 0.32 0.00 0.05 1.72 -0.73 -1.43 -2.45 115.58 113.06 1xyd h ASN 37 Ca 0.04 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.98 1xyd h ASN 37 Cb 0.78 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 1xyd h ASN 37 CO 0.06 0.54 -1.23 -1.13 -0.37 0.00 0.00 177.43 175.30 1xyd h ASN 38 N 0.00 0.16 0.00 1.15 -1.24 -0.37 -3.38 115.58 111.91 1xyd h ASN 38 Ca -0.07 -0.72 -0.09 0.00 0.71 0.00 0.00 56.30 56.12 1xyd h ASN 38 Cb 1.47 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.46 1xyd h ASN 38 CO 0.06 1.51 -1.15 1.21 -1.29 0.00 0.00 177.43 177.76 1xyd n GLU 39 N -4.20 0.43 -0.11 6.67 2.13 -0.67 -4.47 120.64 120.42 1xyd n GLU 39 Ca -0.27 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1xyd n GLU 39 Cb 0.76 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1xyd n LEU 40 N -4.19 2.95 0.10 4.31 4.77 -0.82 -3.75 117.00 120.37 1xyd n LEU 40 Ca -0.19 -1.42 0.12 0.00 -0.03 0.00 0.00 56.01 54.49 1xyd n LEU 40 Cb 0.51 -0.54 0.17 0.00 -2.33 0.00 0.00 43.42 41.22 1xyd n LEU 40 CO 0.13 0.52 0.42 0.28 -1.33 0.00 0.00 177.39 177.41 1xyd h SER 41 N 0.71 0.00 0.00 -1.43 0.02 -1.59 -1.56 113.55 109.69 1xyd h SER 41 Ca 0.00 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1xyd h SER 41 Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1xyd h SER 41 CO 0.00 0.05 -2.01 1.41 -1.14 0.00 0.00 176.83 175.14 1xyd n HIS 42 N -2.39 0.00 -0.09 3.45 8.25 -1.25 -4.43 115.22 118.77 1xyd n HIS 42 Ca 0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 1xyd n HIS 42 Cb 0.47 -0.52 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 1xyd n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xyd n PHE 43 N -2.28 0.00 -3.84 4.41 7.35 -1.25 -4.98 117.46 116.87 1xyd n PHE 43 Ca -0.05 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.27 1xyd n PHE 43 Cb 0.59 -0.62 -0.06 0.00 0.35 0.00 0.00 39.48 39.74 1xyd n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1xyd s LEU 44 N -6.68 4.38 0.04 -2.13 2.96 -0.59 -5.02 118.68 111.64 1xyd s LEU 44 Ca -0.24 0.48 -0.37 0.00 -0.22 0.00 0.00 54.13 53.78 1xyd s LEU 44 Cb 0.08 -2.11 -0.17 0.00 0.50 0.00 0.00 46.19 44.50 1xyd s LEU 44 CO 0.32 0.39 1.36 -0.62 -1.32 0.00 0.00 176.35 176.48 1xyd n GLU 45 N 2.09 1.03 -1.55 1.98 -0.58 -1.26 -4.14 120.64 118.21 1xyd n GLU 45 Ca -0.19 0.37 -0.37 0.00 -0.42 0.00 0.00 57.16 56.55 1xyd n GLU 45 Cb 0.55 -2.00 -0.04 0.00 -0.57 0.00 0.00 31.44 29.37 1xyd n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xyd n GLU 46 N 2.73 1.05 -1.96 3.49 4.71 -1.26 -4.88 120.64 124.51 1xyd n GLU 46 Ca 0.19 0.04 -0.42 0.00 -0.01 0.00 0.00 57.16 56.96 1xyd n GLU 46 Cb 0.17 -3.30 -0.03 0.00 -1.01 0.00 0.00 31.44 27.28 1xyd n GLU 46 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xyd s ILE 47 N 11.68 3.16 -0.02 -3.67 1.01 -1.26 -4.83 121.20 127.27 1xyd s ILE 47 Ca 1.01 0.57 0.08 0.00 0.00 0.00 0.00 60.65 62.31 1xyd s ILE 47 Cb -0.27 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 38.72 1xyd s ILE 47 CO 0.29 -0.01 0.15 0.29 0.00 0.00 0.00 174.94 175.65 1xyd n LYS 48 N 5.74 0.70 -3.76 2.79 5.02 -1.26 -4.58 118.16 122.81 1xyd n LYS 48 Ca 0.16 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.08 1xyd n LYS 48 Cb 0.41 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 1xyd n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xyd s GLU 49 N -2.48 3.54 -0.04 1.97 2.56 -1.26 -5.01 118.70 117.99 1xyd s GLU 49 Ca -0.03 -0.24 0.16 0.00 0.00 0.00 0.00 54.97 54.86 1xyd s GLU 49 Cb 0.04 -2.91 -0.21 0.00 2.00 0.00 0.00 34.13 33.05 1xyd s GLU 49 CO 0.32 0.51 0.57 0.94 -0.56 0.00 0.00 175.26 177.04 1xyd n GLN 50 N 0.07 0.64 -0.15 4.30 7.27 -1.26 -4.12 117.38 124.13 1xyd n GLN 50 Ca -0.04 0.17 0.27 0.00 0.07 0.00 0.00 57.00 57.47 1xyd n GLN 50 Cb 0.52 -1.72 0.72 0.00 2.41 0.00 0.00 30.24 32.17 1xyd n GLN 50 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1xyd h GLU 51 N 0.00 0.00 -0.04 3.69 4.81 -1.98 0.56 114.58 121.62 1xyd h GLU 51 Ca -0.28 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.72 1xyd h GLU 51 Cb 1.85 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.23 1xyd h GLU 51 CO 0.05 0.00 -0.90 -0.24 -0.73 0.00 0.00 179.01 177.19 1xyd h VAL 52 N 0.00 1.35 0.00 0.32 3.04 -1.99 -0.02 116.25 118.96 1xyd h VAL 52 Ca 0.39 -2.28 -0.03 0.00 -1.01 0.00 0.00 66.70 63.77 1xyd h VAL 52 Cb 1.60 2.29 -0.00 0.00 -2.01 0.00 0.00 31.29 33.17 1xyd h VAL 52 CO -0.00 0.69 -0.15 1.62 -1.01 0.00 0.00 177.57 178.72 1xyd h VAL 53 N 0.32 0.50 -0.01 1.51 3.04 -0.25 1.09 116.25 122.45 1xyd h VAL 53 Ca -0.08 -0.74 -0.20 0.00 -1.01 0.00 0.00 66.70 64.67 1xyd h VAL 53 Cb 1.53 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.31 1xyd h VAL 53 CO 0.16 0.15 -0.87 -0.78 -1.01 0.00 0.00 177.57 175.22 1xyd h ASP 54 N 0.00 0.38 0.01 3.17 1.82 0.01 -1.78 116.42 120.02 1xyd h ASP 54 Ca -0.00 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.33 1xyd h ASP 54 Cb 0.50 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1xyd h ASP 54 CO 0.02 1.08 -0.08 0.50 -1.61 0.00 0.00 179.24 179.15 1xyd h LYS 55 N 0.17 0.04 -0.98 0.28 3.11 0.89 -2.81 116.57 117.27 1xyd h LYS 55 Ca -0.05 -0.06 0.15 0.00 -2.81 0.00 0.00 60.65 57.88 1xyd h LYS 55 Cb 1.49 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.65 1xyd h LYS 55 CO 0.14 0.94 0.59 -0.24 -2.81 0.00 0.00 179.45 178.07 1xyd h VAL 56 N -0.83 0.81 0.00 2.00 3.04 0.11 0.91 116.25 122.28 1xyd h VAL 56 Ca -0.01 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 1xyd h VAL 56 Cb 0.98 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1xyd h VAL 56 CO 0.02 0.15 -0.16 0.24 -1.01 0.00 0.00 177.57 176.81 1xyd h MET 57 N 0.84 0.00 -0.45 4.17 2.86 -1.35 0.15 114.93 121.15 1xyd h MET 57 Ca 0.52 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.08 1xyd h MET 57 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1xyd h MET 57 CO -0.33 0.16 -0.06 1.49 1.06 0.00 0.00 176.91 179.23 1xyd h GLU 58 N 0.00 0.78 0.00 1.72 4.81 0.11 2.29 114.58 124.29 1xyd h GLU 58 Ca -0.00 -0.23 -0.21 0.00 -0.13 0.00 0.00 59.36 58.79 1xyd h GLU 58 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1xyd h GLU 58 CO 0.02 0.83 -1.15 1.15 -0.73 0.00 0.00 179.01 179.13 1xyd h THR 59 N 0.72 1.19 0.02 0.32 2.02 -0.83 -3.39 112.91 112.96 1xyd h THR 59 Ca 0.13 -2.85 -0.36 0.00 0.77 0.00 0.00 66.41 64.10 1xyd h THR 59 Cb 0.52 2.56 -0.05 0.00 -1.74 0.00 0.00 68.15 69.44 1xyd h THR 59 CO 0.03 0.68 -2.01 0.18 0.37 0.00 0.00 175.52 174.76 1xyd n LEU 60 N -3.19 2.16 -4.54 2.58 7.99 0.42 -4.73 117.00 117.69 1xyd n LEU 60 Ca -0.05 0.29 -0.14 0.00 -0.01 0.00 0.00 56.01 56.09 1xyd n LEU 60 Cb 0.92 -0.93 -0.09 0.00 -0.11 0.00 0.00 43.42 43.21 1xyd n LEU 60 CO 0.45 0.56 1.29 -0.67 -1.51 0.00 0.00 177.39 177.51 1xyd n ASP 61 N -4.07 1.30 -0.03 -1.43 -0.08 0.77 -4.57 116.55 108.43 1xyd n ASP 61 Ca -0.42 -1.50 -0.09 0.00 -1.51 0.00 0.00 54.79 51.27 1xyd n ASP 61 Cb 0.85 -1.52 -0.14 0.00 2.34 0.00 0.00 41.12 42.65 1xyd n ASP 61 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xyd n GLU 62 N 8.27 0.64 0.00 -0.67 4.07 -1.26 -3.55 120.64 128.13 1xyd n GLU 62 Ca 0.48 0.26 0.14 0.00 -0.06 0.00 0.00 57.16 57.99 1xyd n GLU 62 Cb 0.40 -1.76 0.67 0.00 -0.06 0.00 0.00 31.44 30.69 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1xyd n ASP 63 N -3.01 0.27 -3.37 4.31 5.75 -1.26 -4.90 116.55 114.34 1xyd n ASP 63 Ca -0.18 -0.41 -0.19 0.00 -0.01 0.00 0.00 54.79 53.99 1xyd n ASP 63 Cb 1.06 -0.15 0.08 0.00 -1.03 0.00 0.00 41.12 41.08 1xyd n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyd n GLY 64 N 1.28 -0.39 0.30 6.12 0.00 -1.23 -4.89 105.19 106.38 1xyd n GLY 64 Ca 0.15 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.39 1xyd n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xyd n ASP 65 N -2.92 1.53 0.00 1.61 5.75 -1.26 -4.93 116.55 116.33 1xyd n ASP 65 Ca -0.15 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 1xyd n ASP 65 Cb 0.62 0.62 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 1xyd n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyd n GLY 66 N 1.30 1.01 3.58 6.12 0.00 -1.26 -4.91 105.19 111.03 1xyd n GLY 66 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1xyd n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xyd s GLU 67 N -0.24 1.89 -0.40 1.61 2.02 -1.26 -4.84 118.70 117.48 1xyd s GLU 67 Ca 0.00 -2.08 0.02 0.00 0.02 0.00 0.00 54.97 52.93 1xyd s GLU 67 Cb 0.00 -1.41 0.12 0.00 0.10 0.00 0.00 34.13 32.94 1xyd s GLU 67 CO 0.00 -0.11 0.17 0.00 0.02 0.00 0.00 175.26 175.34 1xyd n ASP 69 N 3.98 -1.72 0.15 0.00 9.92 -1.26 -3.30 116.55 124.32 1xyd n ASP 69 Ca 0.04 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1xyd n ASP 69 Cb 0.38 -0.25 0.25 0.00 -0.64 0.00 0.00 41.12 40.86 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1xyd h PHE 70 N -1.96 0.03 0.00 1.24 -5.15 -1.98 0.34 116.94 109.47 1xyd h PHE 70 Ca -0.07 -0.01 -0.17 0.00 -0.20 0.00 0.00 57.97 57.53 1xyd h PHE 70 Cb 0.23 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 36.37 1xyd h PHE 70 CO 0.00 0.52 -0.79 -0.56 -2.00 0.00 0.00 178.31 175.48 1xyd h GLN 71 N 0.02 0.00 0.09 6.09 3.07 -1.98 -2.87 115.11 119.54 1xyd h GLN 71 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.38 1xyd h GLN 71 Cb 0.88 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.42 1xyd h GLN 71 CO 0.07 0.79 -1.96 -1.91 0.09 0.00 0.00 178.83 175.90 1xyd n GLU 72 N -3.46 0.72 -0.33 0.06 2.13 -1.14 -2.96 120.64 115.66 1xyd n GLU 72 Ca -0.00 0.29 -0.00 0.00 0.66 0.00 0.00 57.16 58.11 1xyd n GLU 72 Cb 0.80 -1.69 0.16 0.00 0.27 0.00 0.00 31.44 30.98 1xyd n GLU 72 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1xyd h PHE 73 N -0.11 1.16 0.00 4.31 3.57 -1.01 0.22 116.94 125.08 1xyd h PHE 73 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1xyd h PHE 73 Cb 1.91 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1xyd h PHE 73 CO 0.07 0.71 0.00 1.98 -2.23 0.00 0.00 178.31 178.84 1xyd h MET 74 N 1.23 0.00 0.00 1.11 4.05 -1.65 -1.86 114.93 117.81 1xyd h MET 74 Ca 0.35 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.72 1xyd h MET 74 Cb -0.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1xyd h MET 74 CO -0.09 0.00 -0.25 0.00 0.23 0.00 0.00 176.91 176.80 1xyd h ALA 75 N 2.31 1.00 -0.07 0.39 0.00 -0.47 -2.85 119.26 119.57 1xyd h ALA 75 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 1xyd h ALA 75 Cb 0.65 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xyd h ALA 75 CO 0.00 0.31 -0.72 0.35 0.00 0.00 0.00 179.25 179.19 1xyd h PHE 76 N 0.00 0.87 -1.00 0.00 3.57 -0.78 -1.45 116.94 118.15 1xyd h PHE 76 Ca -0.00 -0.42 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1xyd h PHE 76 Cb 0.79 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 1xyd h PHE 76 CO 0.00 1.24 0.65 0.28 -2.23 0.00 0.00 178.31 178.25 1xyd h VAL 77 N 0.26 1.18 -0.60 1.41 2.07 -1.51 0.20 116.25 119.25 1xyd h VAL 77 Ca -0.07 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1xyd h VAL 77 Cb 1.38 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1xyd h VAL 77 CO 0.15 0.23 0.18 0.77 0.02 0.00 0.00 177.57 178.91 1xyd h SER 78 N 1.27 0.85 0.61 0.57 4.64 -1.42 1.44 113.55 121.52 1xyd h SER 78 Ca 0.40 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1xyd h SER 78 Cb -0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1xyd h SER 78 CO -0.12 0.81 -0.25 -0.03 -0.87 0.00 0.00 176.83 176.37 1xyd h MET 79 N 0.88 0.00 0.17 4.77 -1.53 0.25 1.20 114.93 120.68 1xyd h MET 79 Ca 0.20 0.00 -0.33 0.00 -3.44 0.00 0.00 59.70 56.13 1xyd h MET 79 Cb 0.27 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.33 1xyd h MET 79 CO -0.01 0.25 -1.57 0.28 0.14 0.00 0.00 176.91 176.00 1xyd h VAL 80 N 0.00 1.14 -0.65 -5.77 2.07 0.10 -2.95 116.25 110.19 1xyd h VAL 80 Ca -0.00 -2.71 -0.07 0.00 0.82 0.00 0.00 66.70 64.74 1xyd h VAL 80 Cb 0.62 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1xyd h VAL 80 CO 0.03 0.84 0.14 0.74 0.02 0.00 0.00 177.57 179.33 1xyd h THR 81 N 0.10 1.26 -0.50 2.57 2.02 0.28 -2.84 112.91 115.80 1xyd h THR 81 Ca -0.27 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1xyd h THR 81 Cb 2.07 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1xyd h THR 81 CO 0.19 0.37 0.33 0.71 0.37 0.00 0.00 175.52 177.49 1xyd h THR 82 N 0.97 1.12 -0.46 3.16 1.35 0.14 0.13 112.91 119.33 1xyd h THR 82 Ca 0.20 -0.23 0.13 0.00 -0.55 0.00 0.00 66.41 65.96 1xyd h THR 82 Cb 0.39 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.19 1xyd h THR 82 CO 0.01 0.12 0.36 0.00 -0.25 0.00 0.00 175.52 175.76 1xyd h ALA 83 N 1.18 2.36 0.00 6.62 0.00 -1.32 1.09 119.26 129.19 1xyd h ALA 83 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xyd h ALA 83 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xyd h ALA 83 CO -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 179.25 178.57 1xyd n HIS 85 N -1.61 0.00 0.07 0.00 -0.00 0.35 -4.24 115.22 109.79 1xyd n HIS 85 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.70 1xyd n HIS 85 Cb 0.35 -0.73 -0.11 0.00 -0.00 0.00 0.00 29.99 29.51 1xyd n HIS 85 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1xyd h GLU 86 N -0.14 0.05 -0.11 1.57 4.11 -0.86 -2.00 114.58 117.19 1xyd h GLU 86 Ca -0.44 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 58.88 1xyd h GLU 86 Cb 1.62 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1xyd h GLU 86 CO -0.11 1.02 -0.02 0.35 0.07 0.00 0.00 179.01 180.31 1xyd h PHE 87 N 0.02 0.24 -0.26 2.06 3.04 -1.69 -2.20 116.94 118.15 1xyd h PHE 87 Ca -0.03 -0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.72 1xyd h PHE 87 Cb 1.76 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 40.21 1xyd h PHE 87 CO 0.01 0.50 -0.45 0.35 -2.02 0.00 0.00 178.31 176.70 1xyd h PHE 88 N -0.10 0.82 -0.49 0.41 3.57 -1.74 -2.89 116.94 116.51 1xyd h PHE 88 Ca 0.03 -0.26 -0.28 0.00 3.53 0.00 0.00 57.97 60.99 1xyd h PHE 88 Cb 0.43 -0.17 -0.15 0.00 2.79 0.00 0.00 35.95 38.85 1xyd h PHE 88 CO 0.05 1.00 0.36 -1.91 -2.23 0.00 0.00 178.31 175.58 1xyd n GLU 89 N -4.01 1.69 -2.07 1.11 2.13 -0.75 -4.88 120.64 113.86 1xyd n GLU 89 Ca -0.02 -1.53 -0.39 0.00 0.66 0.00 0.00 57.16 55.88 1xyd n GLU 89 Cb 0.56 -1.60 -0.03 0.00 0.27 0.00 0.00 31.44 30.64 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1xyd s HIS 90 N -1.72 1.70 -2.00 4.31 2.46 -0.83 -4.91 115.29 114.30 1xyd s HIS 90 Ca 0.29 0.73 0.15 0.00 0.47 0.00 0.00 55.06 56.71 1xyd s HIS 90 Cb 0.24 -4.12 0.89 0.00 -0.13 0.00 0.00 32.58 29.46 1xyd s HIS 90 CO 0.03 -2.30 1.30 -1.91 -2.47 0.00 0.00 174.74 169.40